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CHEBI:70374 - maoecrystal R

ChEBI IDCHEBI:70374
ChEBI Namemaoecrystal R
Stars
DefinitionA natural product found in Isodon eriocalyx.
Last Modified22 September 2014
DownloadsMolfile
FormulaC26H34O9
Net Charge0
Average Mass490.549
Monoisotopic Mass490.22028
SMILES[H][C@@]12CC[C@@H]3C[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@]23[C@H](OC(C)=O)CC[C@](C)(COC(C)=O)[C@@]3([H])[C@@H]1OC(C)=O
InChIInChI=1S/C26H34O9/c1-13-17-6-7-18-24-12-33-26(31,25(18,10-17)21(13)30)22(35-16(4)29)20(24)23(5,11-32-14(2)27)9-8-19(24)34-15(3)28/h17-20,22,31H,1,6-12H2,2-5H3/t17?,18-,19+,20+,22-,23+,24+,25-,26-/m0/s1
InChIKeyNETLVPWZRKTNPY-CXVKUEKLSA-N
Species of MetaboliteComponentSourceComments
Isodon eriocalyx (IPNI:448573-1) aerial part (BTO:0001658) PubMed (20949916) 70% aqueous Me2CO extract of air-dried and powdered aerial parts
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
maoecrystal R (CHEBI:70374) has role metabolite (CHEBI:25212)
maoecrystal R (CHEBI:70374) is a kaurane diterpenoid (CHEBI:53666)
Citations